Materials Data on Sm3SbO3 by Materials Project

doi:10.17188/1316535

Title: Materials Data on Sm3SbO3 by Materials Project

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Abstract

Sm3SbO3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a distorted see-saw-like geometry to two equivalent Sb3- and four O2- atoms. Both Sm–Sb bond lengths are 3.27 Å. There are a spread of Sm–O bond distances ranging from 2.28–2.51 Å. In the second Sm3+ site, Sm3+ is bonded in a distorted see-saw-like geometry to two equivalent Sb3- and four O2- atoms. Both Sm–Sb bond lengths are 3.32 Å. There are a spread of Sm–O bond distances ranging from 2.27–2.39 Å. In the third Sm3+ site, Sm3+ is bonded in a 4-coordinate geometry to four equivalent Sb3- and four O2- atoms. There are two shorter (3.46 Å) and two longer (3.49 Å) Sm–Sb bond lengths. There are a spread of Sm–O bond distances ranging from 2.31–2.68 Å. Sb3- is bonded in a body-centered cubic geometry to eight Sm3+ atoms. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Sm3+ atoms to form a mixture of corner and edge-sharing OSm4 trigonal pyramids. In the second O2- site, O2- is bonded to four Sm3+ atoms to form amore »« less

Authors:: The Materials Project

Publication Date:: 2020-07-18

Other Number(s):: mp-983597

DOE Contract Number:: AC02-05CH11231; EDCBEE

Research Org.:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; Sm3SbO3; O-Sb-Sm

OSTI Identifier:: 1316535

DOI:: https://doi.org/10.17188/1316535

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                    The Materials Project. Materials Data on Sm3SbO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316535.

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                    The Materials Project. Materials Data on Sm3SbO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1316535

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                    The Materials Project. 2020.  
"Materials Data on Sm3SbO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1316535.  https://www.osti.gov/servlets/purl/1316535. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1316535,

  title        = {Materials Data on Sm3SbO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sm3SbO3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a distorted see-saw-like geometry to two equivalent Sb3- and four O2- atoms. Both Sm–Sb bond lengths are 3.27 Å. There are a spread of Sm–O bond distances ranging from 2.28–2.51 Å. In the second Sm3+ site, Sm3+ is bonded in a distorted see-saw-like geometry to two equivalent Sb3- and four O2- atoms. Both Sm–Sb bond lengths are 3.32 Å. There are a spread of Sm–O bond distances ranging from 2.27–2.39 Å. In the third Sm3+ site, Sm3+ is bonded in a 4-coordinate geometry to four equivalent Sb3- and four O2- atoms. There are two shorter (3.46 Å) and two longer (3.49 Å) Sm–Sb bond lengths. There are a spread of Sm–O bond distances ranging from 2.31–2.68 Å. Sb3- is bonded in a body-centered cubic geometry to eight Sm3+ atoms. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Sm3+ atoms to form a mixture of corner and edge-sharing OSm4 trigonal pyramids. In the second O2- site, O2- is bonded to four Sm3+ atoms to form a mixture of distorted corner and edge-sharing OSm4 trigonal pyramids. In the third O2- site, O2- is bonded to four Sm3+ atoms to form a mixture of corner and edge-sharing OSm4 tetrahedra.},

  doi          = {10.17188/1316535},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1316535

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